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Compound Detail

CHEMBL491979

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COc1ccc(NC(=S)N/N=C2\CCc3ccccc32)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL491979
Phase Preclinical
Structure Type MOL
InChI Key XOFLONQNVDSWDS-KNTRCKAVSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

311.4
MW (Da)
3.33
ALogP
3
HBA
2
HBD
45.6
PSA (Ų)
0.67
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H17N3OS
MW 311.41
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -1.38

Literature References

PubMed DOI Target Context # Activities
19397322 10.1021/jm800861c NON-PROTEIN TARGET 2
28600079 10.1016/j.bmc.2017.05.056 Unchecked 2

Data from ChEMBL 36 via Core Engine